Cas no 5453-18-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 3-(oxolan-2-yl)propyl dodecanoate
- 3-(tetrahydrofuran-2-yl)propyl dodecanoate
- AC1L5FBV
- AC1Q670N
- AG-K-06687
- AR-1E8038
- CTK5A1480
- lauric acid-(3-tetrahydro[2]furyl-propyl ester)
- Laurinsaeure-(3-tetrahydro[2]furyl-propylester)
- NSC18555
- NSC-18555
- 5453-18-9
- DTXSID70280771
-
-
- Inchi： 1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-15-19(20)22-17-12-14-18-13-11-16-21-18/h18H,2-17H2,1H3
- InChI Key： TWMYTXPKFHKPAQ-UHFFFAOYSA-N
- SMILES： O1CCCC1CCCOC(CCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 312.26658
- Monoisotopic Mass: 312.266445
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.5
- XLogP3: 6.4
Experimental Properties
- Density: 0.931
- Boiling Point: 393.8°C at 760 mmHg
- Flash Point: 151.6°C
- Refractive Index: 1.457
- PSA: 35.53
- LogP: 5.40970
Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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